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Home Halogens methyl 5-chloro-2-(1H-1,2,4-triazol-1-yl)benzoate hydrochloride

methyl 5-chloro-2-(1H-1,2,4-triazol-1-yl)benzoate hydrochloride

CAS No.:
1909317-47-0
Catalog Number:
AG01C51R
Molecular Formula:
C10H9Cl2N3O2
Molecular Weight:
274.1034
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Product Description
Catalog Number:
AG01C51R
Chemical Name:
methyl 5-chloro-2-(1H-1,2,4-triazol-1-yl)benzoate hydrochloride
CAS Number:
1909317-47-0
Molecular Formula:
C10H9Cl2N3O2
Molecular Weight:
274.1034
MDL Number:
MFCD29763270
IUPAC Name:
methyl 5-chloro-2-(1,2,4-triazol-1-yl)benzoate;hydrochloride
InChI:
InChI=1S/C10H8ClN3O2.ClH/c1-16-10(15)8-4-7(11)2-3-9(8)14-6-12-5-13-14;/h2-6H,1H3;1H
InChI Key:
BECMCMBYFHUHQT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1n1cncn1.Cl
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.007g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.101g/mol
Monoisotopic Mass:
273.007g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties